SCHEMBL8653167

SCHEMBL8653167

O=C1CN(Cc2ccc(OCc3nc(-c4ccccc4)cs3)cc2)C(=O)S1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.45
PPARA Q07869 2/20 0.45
ALOX5 P09917 2/20 0.44
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ATP4A P20648 4/20 0.40
ATP4B P51164 4/20 0.40
POLB P06746 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.38
FFAR1 O14842 1/20 0.38
GRM2 Q14416 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8653163 0.80 GSK3A (0.52) PPARDPPARAALOX5MAPTL3MBTL1
SCHEMBL8649700 0.76 FFAR1 (0.57) PPARAMAPTALDH1A1FFAR1GRM2
SCHEMBL8650157 0.75 FFAR1 (0.58) PPARAMAPTFFAR1
SCHEMBL3115953 0.72 ALDH1A1 (0.51) MAPTL3MBTL1KMT2AALDH1A1POLB
SCHEMBL7455599 0.72 PPARD (0.44) PPARDPPARAALOX5MAPTL3MBTL1
SCHEMBL7455591 0.70 FFAR1 (0.63) PPARAFFAR1
SCHEMBL7478013 0.68 PPARD (0.58) PPARDPPARAMAPTL3MBTL1TDP1
SCHEMBL7867091 0.67 PTPN1 (0.50)
SCHEMBL8556878 0.65 PPARD (0.50) PPARDPPARAALOX5MAPTL3MBTL1
SCHEMBL8556876 0.65 ALOX5 (0.56) PPARDPPARAALOX5MAPTL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843970-A Thiazolidine derivatives for the treatment of hypertension BETHESDA PHARMACEUTICALS, INC. 1998-12-01 US disclosed
US-5824694-A Thiazolidine derivatives for the treatment of psoriasis BETHESDA PHARMACEUTICALS, INC. (US) 1998-10-20 US disclosed